(3S)-N-(5-piperidin-1-ylisoquinolin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(5-piperidin-1-ylisoquinolin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[5-(1-piperidyl)-8-isoquinolyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[5-(1-piperidinyl)-8-isoquinolinyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(5-piperidin-1-ylisoquinolin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(5-piperidino-8-isoquinolyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)[C@@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C23H23N3O3/c27-23(22-15-28-20-6-2-3-7-21(20)29-22)25-18-8-9-19(26-12-4-1-5-13-26)16-10-11-24-14-17(16)18/h2-3,6-11,14,22H,1,4-5,12-13,15H2,(H,25,27)/t22-/m0/s1